C45h56n7N7O9P.-Guanine, 5 '-o- [BIS (4--Metoxyphenyl) -2
CAT Nomer Pendaptaran
150780-67-9
H303
Sipat fisik konci | Nilai | Kaayaan |
Beurat molekular | 869.94 | - |
Pair (diprediksi) | 9.16 ± 0,20 | TEMP anu paling asam: 25 ° C |
N # cccop (OC1C (OC (N2C = NC = 3c (= O) n = c (oc = c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) c) C
Imutterik
C (OC [C @@ H] 1 [C @@ (OP (N (C (C) C1) C = C4) (c5 = cc = c (OC) c = c5) c6 = cc = cc = c6
Atchi
Inchi = 1s / c45h56n7o9p / c1-28 (2) 41 (53) 49-44-48010) 48-50
46) 52 (29 (3) 4) 30 (5) 6) 36 (66-43) 26-58-12-18) 23-19-32.27 -30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1
Konci inci
Oldhrzuoznwdj
1 ngaran sanés pikeun zat ieu
Guanosine, 5 '-O- [BIS (4-methoxyphenyl) phenylmethletl) -O-meth-N- (2-methl-1-oxopropil) -, 3 '- [2-c canoilylyl BIS (1 - fosforida] (9ci)
Spéktra sayogi
13 c nmr
Hetero nmr
Sipat sayogi
Biologis
Kimia
Lipinski
Struktur patali
Harta | Nilai | Kaayaan | Sumber |
Faktor bioconcation | 183 | pH 1; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 3890 | pH 2; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 35500 | pH 3; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.08 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.36 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.39 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1,38 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 1.24 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 63600 | pH 9; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 11900 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Harta | Nilai | Kaayaan | Sumber |
Kub | 220 | pH 1; Temp: 25 ° C | (1) ACD |
Kub | 4680 | pH 2; Temp: 25 ° C | (1) ACD |
Kub | 42600 | pH 3; Temp: 25 ° C | (1) ACD |
Kub | 1.30 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
Kub | 1.63 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
Kub | 1.67 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
Kub | 1.65 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
Kub | 1,49 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Kub | 76400 | pH 9; Temp: 25 ° C | (1) ACD |
Kub | 14200 | pH 10; Temp: 25 ° C | (1) ACD |
log As | 4.19 | pH 1; Temp: 25 ° C | (1) ACD |
log As | 5.52 | pH 2; Temp: 25 ° C | (1) ACD |
log As | 6,48 | pH 3; Temp: 25 ° C | (1) ACD |
log As | 6,96 | pH 4; Temp: 25 ° C | (1) ACD |
log As | 7.06 | pH 5; Temp: 25 ° C | (1) ACD |
log As | 7.07 | pH 6; Temp: 25 ° C | (1) ACD |
log As | 7.07 | pH 7; Temp: 25 ° C | (1) ACD |
log As | 7.02 | pH 8; Temp: 25 ° C | (1) ACD |
log As | 6,73 | pH 9; Temp: 25 ° C | (1) ACD |
log As | 6,00 | pH 10; Temp: 25 ° C | (1) ACD |
logp | 7.072 ± 0,721 | Temp: 25 ° C | (1) ACD |
Kebar intrinsik massic | 1,2 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,096 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Sahubat massa | 4.3 x 10-3 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Sahubat massa | 4.8 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1.6 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1,2 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1,2 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1,2 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1.4 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Sahubat massa | 2.7 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1.4 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1,2 x 10-4 g / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
Kebar intrinsik molar | 1.4 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,1 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 5.0 x 10-6 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 5.5 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,8 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.4 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.4 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Kahirupan molar | 1.4 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.6 x 10-7 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 3.1 x 10-7 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,6 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1.4 x 10-7 mol / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
Beurat molekular | 869.94 | ||
Pka | 9.16 ± 0,20 | TEMP anu paling asam: 25 ° C | (1) ACD |
Pka | 3.45 ± 0,70 | Paling dasar temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Harta | Nilai | Kaayaan | Sumber |
Beungkeut bébas rotét | 19 | (1) ACD | |
H panarima | 16 | (1) ACD | |
H donor | 2 | (1) ACD | |
H donor / panarima | 18 | (1) ACD | |
logp | 7.072 ± 0,721 | Temp: 25 ° C | (1) ACD |
Beurat molekular | 869.94 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Harta | Nilai | Sumber kaayaan |
Daérah permukaan polar | 194 A2 | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1 h nmr
13 c nmr
Kode | Pernyataan Bahaya | Sumber |
H303 | Tiasa ngabahayakeun upami ditelek | Ahli terarah |